2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C56H46N14O2S2 — CID 162158037

About 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 162158037) has the molecular formula C56H46N14O2S2 and a molecular weight of 1011.21 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 162158037
• Molecular Formula: C56H46N14O2S2
• Molecular Weight: 1011.21 g/mol
• Exact Mass: 1010.34
• IUPAC Name: 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1nc2sc(C#Cc3cnn(C)c3)cn2c1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1nc2scc(C#Cc3cnn(C)c3)n2c1-c1ccccc1
• InChI: InChI=1S/2C28H23N7OS/c1-18-24(23-11-7-8-14-35(23)32-18)27(36)30-19(2)25-26(21-9-5-4-6-10-21)34-17-22(37-28(34)31-25)13-12-20-15-29-33(3)16-20;1-18-24(23-11-7-8-14-34(23)32-18)27(36)30-19(2)25-26(21-9-5-4-6-10-21)35-22(17-37-28(35)31-25)13-12-20-15-29-33(3)16-20/h2*4-11,14-17,19H,1-3H3,(H,30,36)/t2*19-/m00/s1
• InChIKey: ZMBZSAMJILZSKN-KXSSUAHJSA-N
• XLogP: 9.29
• TPSA: 163.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.21
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 162158037) is 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1nc2sc(C#Cc3cnn(C)c3)cn2c1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1nc2scc(C#Cc3cnn(C)c3)n2c1-c1ccccc1.

What is the InChIKey of 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ZMBZSAMJILZSKN-KXSSUAHJSA-N. The full InChI is InChI=1S/2C28H23N7OS/c1-18-24(23-11-7-8-14-35(23)32-18)27(36)30-19(2)25-26(21-9-5-4-6-10-21)34-17-22(37-28(34)31-25)13-12-20-15-29-33(3)16-20;1-18-24(23-11-7-8-14-34(23)32-18)27(36)30-19(2)25-26(21-9-5-4-6-10-21)35-22(17-37-28(35)31-25)13-12-20-15-29-33(3)16-20/h2*4-11,14-17,19H,1-3H3,(H,30,36)/t2*19-/m00/s1.

What are the key properties of 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1011.21 g/mol, XLogP of 9.29, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1S)-1-[2-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylimidazo[2,1-b][1,3]thiazol-6-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 162158037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).